CO2 hydrogenation with green hydrogen is a practical approach for the reduction of CO2 emissions and the generation of high-value-added chemicals. Generally, product selectivity is affected by the associated re
Path optimizationStagingThis paper investigates methanol production through CO2 hydrogenation in a series of fixed bed reactors. Staging of the reactor into several smaller reactors is considered to enhance methanol production in addition to maximize a measure of annual profit. The degrees of freedom of...
Design and kinetic optimization of a 3D-printed packed bed reactor for high-volume continuous hydrogenation of nitroaromatic compounds and simultaneous production of aromatic amines This study addresses the environmental risks associated with nitroaromatic compounds (NACs), widely used in industrial processes...
Design and optimization of CO2 hydrogenation multibed reactors Chem. Eng. Res. Des. (2022) S.R. Upreti et al. Optimal design of an Ammonia Synthesis Reactor Using Genetic Algorithms Comput. Chem. Eng. (1997) AmmoniaKnowHow, 2013. Catalyst deactivation Common causes. Available in:... Angira...
(NNs), offers powerful tools for accelerating the discovery and optimization of SACs. This review systematically discusses the application of AI technologies in SACs development through four key stages: (1) Density functional theory (DFT) andab initiomolecular dynamics (AIMD) simulations: DFT and ...
The primary purpose of this study is to establish a new model through machine learning methods; namely, adaptive neuro-fuzzy inference system (ANFIS) combined with particle swarm optimization (PSO) and genetic algorithm (GA) for the prediction of *CO (the key intermediate) adsorption energy as ...
Electrochemical CO2 reduction (CO2R) represents a sustainable way to store intermittent renewable energies and produce carbon-neutral fuels, yet the energy
Copper-catalysed synthesis of chiral alkynyl cyclopropanes using enantioconvergent radical cross-coupling of cyclopropyl halides with terminal alkynes Article 26 September 2024 Data availability Data relating to the materials and methods, optimization studies, experimental procedures, mechanistic studies, DFT ...
1. In the indirect hydrogenation process, CO2 molecules are first converted to CO via the reverse water–gas shift (RWGS) reaction, and it is then converted to the desired product via the Fischer-Tropsch synthesis (FTS) process [11]. The indirect hydrogenation process remains the subject of ...
Characteristics of Cu-based hybrid catalysts in CO2 hydrogenation will be discussed in terms of hydrocarbon yield and product distribution, and some main parameters for a better design of the hybrid catalysts will be summarized. 1.1 Catalyst design Catalyst design can be regarded as a logical ...